4X7Z

MycF mycinamicin III 3'-O-methyltransferase (E35Q, M56A, E139A variant) in complex with Mg, SAH and mycinamicin III (substrate)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-03-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	50.354, 92.516, 127.798
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.850 - 1.440
R-factor	0.15389
Rwork	0.153
R-free	0.16765
RMSD bond length	0.009
RMSD bond angle	1.430
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.940	1.530
High resolution limit [Å]	1.440	1.440
Rmerge		0.561
Number of reflections	107004
<I/σ(I)>	11.6	1.4
Completeness [%]	99.0	93.6
Redundancy	5.8	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.1	20-30% PEG 5000 MME, 100 mM ammonium acetate, 100 mM BisTrisPropane pH 6.5